562096-81-5
(3R,4AS,5R)-5,8-DIHYDROXY-3-METHYL-3,4,4A,5,6,7-HEXAHYDRO-1H-ISOCHROMEN-1-ONE
Name(3R,4AS,5R)-5,8-DIHYDROXY-3-METHYL-3,4,4A,5,6,7-HEXAHYDRO-1H-ISOCHROMEN-1-ONE
1Identification
【Name】
(3R,4AS,5R)-5,8-DIHYDROXY-3-METHYL-3,4,4A,5,6,7-HEXAHYDRO-1H-ISOCHROMEN-1-ONE
【CAS】
【MDL】
MFCD21608673
【English Synonyms】
【Formula】
C10 H14 O4
【MolWeight】
198.217
【Inchi】
InChI=1S/C10H14O4/c1-5-4-6-7(11)2-3-8(12)9(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6-,7-/m1/s1
【InChIKey】
InChIKey=JWWNTVZAXCYTJC-FSDSQADBSA-N
【SMILES】
C[C@@H]1C[C@@H]2[C@@H](CCC(=C2C(=O)O1)O)O
【MOL File】
(3R,4AS,5R)-5,8-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3R,4AS,5R)-5,8-DIHYDROXY-3-METHYL-3,4,4A,5,6,7-HEXAHYDRO-1H-ISOCHROMEN-1-ONE.cml